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2-(3,5-dimethylphenoxy)-3-[3-(trifluoromethyl)phenyl]quinoline

2-(3,5-dimethylphenoxy)-3-[3-(trifluoromethyl)phenyl]quinoline

CAS: 337921-93-4

Formula: C24H18F3NO

SMILES: CC1=CC(OC2=NC3=CC=CC=C3C=C2C2=CC=CC(=C2)C(F)(F)F)=CC(C)=C1

IUPAC: 2-(3,5-dimethylphenoxy)-3-[3-(trifluoromethyl)phenyl]quinoline

InChI: InChI=1S/C24H18F3NO/c1-15-10-16(2)12-20(11-15)29-23-21(14-18-6-3-4-9-22(18)28-23)17-7-5-8-19(13-17)24(25,26)27/h3-14H,1-2H3

Composition: C (73.27%), H (4.61%), F (14.49%), N (3.56%), O (4.07%)

Molar Mass: 393.409

Atom Count: 47

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 393.134048693
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey KVSVHIRJEGXWTG-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 107.73
Topological Polar Surface Area 22.12
Polarizability 42.63
Ring Count 4
Rotatable Bond Count 4

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